Sugi Predict

Sugi Predict / Compounds / SCHEMBL8534964

SCHEMBL8534964

SCHEMBL8534964

Nc1nc(Cl)cc(N2CCOc3ccc(-c4cnc5sc(N)nc5c4)cc3C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ PIK3CA P42336 4/20 0.38
▸ MTOR P42345 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ GPR142 Q7Z601 2/20 0.31
▸ CYP3A4 P08684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8586187 0.91 DYRK1A (0.40) MAPTPIK3CAMTORSMN1; SMN2DYRK1A
SCHEMBL8536197 0.89 CRHBP (0.42) MAPTPIK3CAMTORSMN1; SMN2DYRK1A
SCHEMBL8530464 0.88 PIK3CA (0.38) MAPTCYP2D6PIK3CAMTORSMN1; SMN2
SCHEMBL8533147 0.87 PIK3CA (0.37) MAPTCYP2D6PIK3CAMTORSMN1; SMN2
SCHEMBL8513123 0.84 PIK3CA (0.38) PIK3CAMTORPRKDCHRH4ALOX5AP
SCHEMBL16476845 0.84 CYP1A2 (0.40) MAPTCYP1A2CYP2D6PIK3CAMTOR
SCHEMBL8530135 0.82 PIK3CA (0.36) PIK3CAMTORPRKDC
SCHEMBL8586828 0.82 PIK3CA (0.38) CYP2D6PIK3CAMTORDYRK1APRKDC
SCHEMBL8534182 0.82 PIK3CA (0.36) PIK3CAMTORPRKDC
SCHEMBL15407411 0.82 PIK3CA (0.36) PIK3CAMTORDYRK1APRKDC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 — — US claimed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 — — US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 — — US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 — — US disclosed
EP-2643327-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 — — EP disclosed
WO-2012071511-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR MAPT 439/4885CYP1A2 1272/4885CYP2D6 749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.